CID 20055208

1007364-30-8

Structural Information

Molecular Formula

C₁₇H₁₇NO₄

SMILES

CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)O

InChI

InChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+

InChIKey

LXOPDEDFRXZTNO-FBMGVBCBSA-N

Compound name

(2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1082
Patents: 299.11575 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	300.123026	168.3
[M+Na]+	322.104968	174.2
[M-H]-	298.108474	175.0
[M+NH4]+	317.149573	182.7
[M+K]+	338.078908	171.9
[M+H-H2O]+	282.113010	159.9
[M+HCOO]-	344.113951	191.9
[M+CH3COO]-	358.129601	206.0
[M+Na-2H]-	320.090416	171.4
[M]+	299.11520142	171.5
[M]-	299.11629858	171.5

Literature stripe

literature stripe

Patent stripe

patents stripe